3',4'-Dichlorobenzamil
TL;DR: 3',4'-Dichlorobenzamil (CAS 1166-01-4) is a chemical compound with molecular formula C13H12Cl3N7O and molecular weight 387.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diamino-6-chloro-N-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
Also Known As: dichlorobenzamil, 3',4'-Dichlorobenzamil, 3,4-dichlorobenzamil, Lopac-D-8190, 3/',4/'-Dichlorobenzamil
| Molecular Formula | C13H12Cl3N7O |
|---|---|
| Molecular Weight | 387.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.01688 |
| Heavy Atoms | 24 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 1166-01-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)Cl)Cl |
| InChIKey | OSHKWEFWXCCNJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3',4'-Dichlorobenzamil (CAS 1166-01-4), with molecular formula C13H12Cl3N7O and molecular weight 387.02 g/mol. IUPAC: 3,5-diamino-6-chloro-N-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide.
Chemical Property Profile of 3',4'-Dichlorobenzamil
Property Insights of 3',4'-Dichlorobenzamil
The XLogP value of 3.0 indicates that 3',4'-Dichlorobenzamil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting 3',4'-Dichlorobenzamil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3',4'-Dichlorobenzamil has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3',4'-Dichlorobenzamil?
The CAS number of 3',4'-Dichlorobenzamil is 1166-01-4.
What is the molecular formula of 3',4'-Dichlorobenzamil?
The molecular formula of 3',4'-Dichlorobenzamil is C13H12Cl3N7O.
What is the molecular weight of 3',4'-Dichlorobenzamil?
The molecular weight of 3',4'-Dichlorobenzamil is 387.02 g/mol.
Where can I buy 3',4'-Dichlorobenzamil?
You can request a quote for 3',4'-Dichlorobenzamil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-Dichlorobenzamil?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-Dichlorobenzamil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.